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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'α-glucosidase' and Ligand = 'BDBM222221'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM222221
PNG
(3-(4-(4,5-diphenyl-1H-imidazol-2-yl)-1-phenyl-1H-p...)
Show SMILES O=c1oc2ccccc2cc1-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H22N4O2/c38-33-26(20-24-16-10-11-19-28(24)39-33)31-27(21-37(36-31)25-17-8-3-9-18-25)32-34-29(22-12-4-1-5-13-22)30(35-32)23-14-6-2-7-15-23/h1-21H,(H,34,35)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.78E+3n/an/an/an/an/an/a



University of the Punjab; Kinnaird College for Women



Assay Description
At 37 C, after incubation of 10 min of a reaction mixture solution of 70 μL (50 mM) phosphate buffer of 6.8 pH, 10 μL (0.5 mM) of a test c...


Bioorg Chem 71: 102-109 (2017)

More data for this
Ligand-Target Pair